(4-tert-butylcyclohexyl) 2-[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[6-[anilino(oxo)methyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-methyl-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid (4-tert-butylcyclohexyl) ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC3CCC(CC3)C(C)(C)C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC3CCC(CC3)C(C)(C)C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4S/c1-16-21-24(34-22(16)23(31)28-18-8-6-5-7-9-18)27-15-29(25(21)32)14-20(30)33-19-12-10-17(11-13-19)26(2,3)4/h5-9,15,17,19H,10-14H2,1-4H3,(H,28,31)